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Author

D. Perez

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2 papers indexed here

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Open access Sep 2026

Mechanism of molecular recognition revealed through dynamic drug binding pathways to SARS-CoV-2 main protease

Characterization of drug-binding pathways remains experimentally limited by transient intermediates and computationally challenging due to long timescales intractable for conventional molecular dynamics. To address these challenges, we combined solution NMR titrations with weighted ensemble (WE) enhanced sampling simul...

D. Perez, Grace Arhin, Yao Fu et al. · 0 citations
Aug 2026

Discovery of LAS194046: A Potent and Selective pan-Janus Kinase (JAK) Inhibitor with a Suitable Profile for Inhaled Administration.

Relevant cytokines involved in inflammatory processes in asthma and Chronic Obstructive Pulmonary Disease (COPD) signal through the Janus kinase (JAK) proteins. Therefore, a JAK inhibitor blocking multiple cytokine signaling pathways constitutes a potential new anti-inflammatory therapy for these diseases. Herein is de...

Jordi Bach, D. Perez, C. Esteve et al. · 0 citations

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